SCHEMBL25819286

SCHEMBL25819286

CC[C@@]1(O)CCc2ccc(-n3c(C4CC4)cc4cnc(Nc5ccc(C(C)(C)C)cc5)nc43)nc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.50
EGFR P00533 1/20 0.46
CYP3A4 P08684 1/20 0.46
PLK1 P53350 1/20 0.46
MAP3K19 Q56UN5 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
PLK2 Q9NYY3 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25818950 0.84 WEE1 (0.38) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL26644424 0.75 WEE1 (0.53) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL30656358 0.75 WEE1 (0.53) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL26644550 0.75 WEE1 (0.62) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25819288 0.75 WEE1 (0.50) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25819292 0.75 WEE1 (0.50) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL26644546 0.75 WEE1 (0.62) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25819502 0.75 WEE1 (0.78) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25819272 0.75 WEE1 (0.78) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL30656391 0.74 WEE1 (0.58) WEE1EGFRCYP3A4PLK1MAP3K19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed